Molecule

ID:14709

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-18-14-8-5-6-12(15(14)19-2)10-16-11-13-7-3-4-9-17-13/h3-9,16H,10-11H2,1-2H3
InChIKey
DWRVWODUXKIOPV-UHFFFAOYSA-N
Canonic Smiles
COc1c(CNCc2ccccn2)cccc1OC
Isomeric Smiles
c1(c(c(ccc1)OC)OC)CNCc1ccccn1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.07602092
LogD (pH = 7.4)
1.5786813
Log P
1.8045247
Molar Refractivity
74.1659
Polarizability
29.266891
Polar Surface Area
43.38
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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